Crystallography Open Database

Information card for entry 7047670

Preview

Coordinates	7047670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H140 N16 Nb8 Ni4 O50 Ti2
Calculated formula	C40 H96 N16 Nb8 Ni4 O50 Ti2
Title of publication	On the influence of the titanium source on the composition and structure of novel titanoniobates.
Authors of publication	Dopta, Joanna; Grzanna, Sven; Näther, Christian; Bensch, Wolfgang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	42
Pages of publication	15103 - 15113
a	18.8775 ± 0.0006 Å
b	21.9384 ± 0.0005 Å
c	14.6624 ± 0.0004 Å
α	90°
β	128.456 ± 0.002°
γ	90°
Cell volume	4755.1 ± 0.3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0348
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0837
Weighted residual factors for all reflections included in the refinement	0.0863
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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